MEL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C1 | C8 | sing | 1.53Å | 1.56Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| N7 | C8 | sing | 1.47Å | 1.49Å | |
| N7 | C28 | sing | 1.47Å | 1.48Å | |
| N7 | H71 | sing | 1.01Å | 1.02Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C9 | O0 | doub | 1.21Å | 1.21Å | |
| C9 | N11 | sing | 1.35Å | 1.33Å | |
| N11 | C12 | sing | 1.48Å | 1.51Å | |
| N11 | C27 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | C26 | sing | 1.54Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C13 | O14 | doub | 1.21Å | 1.24Å | |
| C13 | N15 | sing | 1.35Å | 1.34Å | |
| N15 | C16 | sing | 1.46Å | 1.47Å | |
| N15 | H151 | sing | 0.97Å | 1.02Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C23 | sing | 1.48Å | 1.50Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.10Å | |
| C23 | N24 | doub | 1.30Å | 1.30Å | |
| C23 | N25 | sing | 1.38Å | 1.32Å | |
| N24 | H241 | sing | 0.97Å | 1.02Å | |
| N25 | H251 | sing | 0.97Å | 1.02Å | |
| N25 | H252 | sing | 0.97Å | 1.02Å | |
| C26 | C27 | sing | 1.54Å | 1.56Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | O30 | sing | 1.34Å | 1.24Å | |
| C29 | O31 | doub | 1.21Å | 1.26Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 108.3° | 109.4° |
| C2 | C1 | C8 | 113.3° | 109.4° |
| C2 | C1 | H11 | 110.3° | 109.5° |
| C1 | C2 | C3 | 109.7° | 109.5° |
| C1 | C2 | H21 | 112.2° | 109.5° |
| C1 | C2 | H22 | 112.2° | 109.5° |
| C6 | C1 | C8 | 116.1° | 109.5° |
| C6 | C1 | H11 | 107.1° | 109.5° |
| C1 | C6 | C5 | 108.9° | 109.5° |
| C1 | C6 | H61 | 112.5° | 109.5° |
| C1 | C6 | H62 | 112.4° | 109.4° |
| C8 | C1 | H11 | 101.4° | 109.5° |
| C1 | C8 | N7 | 110.3° | 109.5° |
| C1 | C8 | C9 | 110.7° | 109.5° |
| C1 | C8 | H81 | 109.2° | 109.4° |
| C3 | C2 | H21 | 112.1° | 109.4° |
| C3 | C2 | H22 | 112.1° | 109.5° |
| C2 | C3 | C4 | 109.5° | 109.5° |
| C2 | C3 | H31 | 112.2° | 109.5° |
| C2 | C3 | H32 | 112.2° | 109.5° |
| H21 | C2 | H22 | 98.3° | 109.5° |
| C4 | C3 | H31 | 112.2° | 109.5° |
| C4 | C3 | H32 | 112.2° | 109.5° |
| C3 | C4 | C5 | 109.7° | 109.5° |
| C3 | C4 | H41 | 112.1° | 109.5° |
| C3 | C4 | H42 | 112.1° | 109.4° |
| H31 | C3 | H32 | 98.3° | 109.4° |
| C5 | C4 | H41 | 112.1° | 109.5° |
| C5 | C4 | H42 | 112.1° | 109.5° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C4 | C5 | H51 | 111.6° | 109.5° |
| C4 | C5 | H52 | 111.6° | 109.5° |
| H41 | C4 | H42 | 98.3° | 109.5° |
| C6 | C5 | H51 | 111.7° | 109.4° |
| C6 | C5 | H52 | 111.6° | 109.5° |
| C5 | C6 | H61 | 112.4° | 109.5° |
| C5 | C6 | H62 | 112.5° | 109.5° |
| H51 | C5 | H52 | 98.7° | 109.5° |
| H61 | C6 | H62 | 98.0° | 109.4° |
| C8 | N7 | C28 | 116.8° | 106.8° |
| C8 | N7 | H71 | 109.6° | 106.7° |
| N7 | C8 | C9 | 112.6° | 109.5° |
| N7 | C8 | H81 | 107.2° | 109.4° |
| C28 | N7 | H71 | 109.5° | 106.7° |
| N7 | C28 | C29 | 113.3° | 109.5° |
| N7 | C28 | H281 | 110.8° | 109.4° |
| N7 | C28 | H282 | 110.8° | 109.5° |
| C9 | C8 | H81 | 106.7° | 109.5° |
| C8 | C9 | O0 | 120.2° | 120.0° |
| C8 | C9 | N11 | 117.0° | 120.1° |
| O0 | C9 | N11 | 122.3° | 119.9° |
| C9 | N11 | C12 | 121.3° | 134.7° |
| C9 | N11 | C27 | 118.8° | 134.5° |
| C12 | N11 | C27 | 88.9° | 90.9° |
| N11 | C12 | C13 | 115.2° | 113.8° |
| N11 | C12 | C26 | 89.4° | 86.2° |
| N11 | C12 | H121 | 120.7° | 113.8° |
| N11 | C27 | C26 | 89.4° | 86.1° |
| N11 | C27 | H271 | 120.3° | 113.8° |
| N11 | C27 | H272 | 120.3° | 113.8° |
| C13 | C12 | C26 | 115.4° | 113.8° |
| C13 | C12 | H121 | 97.3° | 113.0° |
| C12 | C13 | O14 | 117.7° | 120.0° |
| C12 | C13 | N15 | 119.7° | 120.0° |
| C26 | C12 | H121 | 120.5° | 113.7° |
| C12 | C26 | C27 | 85.2° | 86.3° |
| C12 | C26 | H261 | 122.1° | 113.7° |
| C12 | C26 | H262 | 122.1° | 113.8° |
| O14 | C13 | N15 | 122.5° | 120.0° |
| C13 | N15 | C16 | 120.9° | 120.0° |
| C13 | N15 | H151 | 114.7° | 120.0° |
| C16 | N15 | H151 | 124.4° | 120.0° |
| N15 | C16 | C17 | 110.8° | 109.4° |
| N15 | C16 | H161 | 111.7° | 109.5° |
| N15 | C16 | H162 | 111.7° | 109.5° |
| C17 | C16 | H161 | 111.7° | 109.5° |
| C17 | C16 | H162 | 111.7° | 109.5° |
| C16 | C17 | C18 | 118.7° | 119.9° |
| C16 | C17 | C22 | 122.2° | 119.9° |
| H161 | C16 | H162 | 98.7° | 109.5° |
| C18 | C17 | C22 | 119.0° | 120.3° |
| C17 | C18 | C19 | 119.8° | 120.1° |
| C17 | C18 | H181 | 119.9° | 119.9° |
| C17 | C22 | C21 | 121.3° | 120.1° |
| C17 | C22 | H221 | 119.8° | 119.9° |
| C19 | C18 | H181 | 120.3° | 120.0° |
| C18 | C19 | C20 | 120.7° | 119.9° |
| C18 | C19 | H191 | 119.6° | 120.1° |
| C20 | C19 | H191 | 119.7° | 120.1° |
| C19 | C20 | C21 | 119.4° | 119.7° |
| C19 | C20 | C23 | 120.6° | 120.2° |
| C21 | C20 | C23 | 120.0° | 120.1° |
| C20 | C21 | C22 | 119.8° | 119.9° |
| C20 | C21 | H211 | 120.2° | 120.0° |
| C20 | C23 | N24 | 119.3° | 120.1° |
| C20 | C23 | N25 | 119.3° | 120.0° |
| C22 | C21 | H211 | 120.1° | 120.0° |
| C21 | C22 | H221 | 118.9° | 119.9° |
| N24 | C23 | N25 | 121.4° | 119.9° |
| C23 | N24 | H241 | 67.2° | 119.9° |
| C23 | N25 | H251 | 108.7° | 120.0° |
| C23 | N25 | H252 | 119.3° | 120.0° |
| H251 | N25 | H252 | 108.7° | 120.0° |
| C27 | C26 | H261 | 122.1° | 113.7° |
| C27 | C26 | H262 | 122.1° | 113.8° |
| C26 | C27 | H271 | 120.3° | 113.8° |
| C26 | C27 | H272 | 120.2° | 113.7° |
| H261 | C26 | H262 | 87.5° | 113.0° |
| H271 | C27 | H272 | 89.7° | 113.0° |
| C29 | C28 | H281 | 110.8° | 109.5° |
| C29 | C28 | H282 | 110.8° | 109.5° |
| C28 | C29 | O30 | 118.5° | 120.0° |
| C28 | C29 | O31 | 119.3° | 120.0° |
| H281 | C28 | H282 | 99.5° | 109.5° |
| O30 | C29 | O31 | 122.2° | 120.0° |
| C29 | O30 | H301 | 118.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C8 | 128.6° | 119.9° |
| C2 | C1 | C6 | H11 | 119.0° | 120.0° |
| C2 | C1 | C8 | H11 | 118.2° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 118.1° | 120.0° |
| C1 | C2 | C3 | C4 | 59.9° | 60.0° |
| C1 | C2 | C3 | H31 | 65.4° | 60.0° |
| C1 | C2 | C3 | H32 | 174.9° | 180.0° |
| C2 | C1 | C6 | C5 | 60.7° | 60.0° |
| C2 | C1 | C6 | H61 | 64.6° | 60.0° |
| C2 | C1 | C6 | H62 | 174.1° | 180.0° |
| C2 | C1 | C8 | N7 | 144.0° | 174.0° |
| C2 | C1 | C8 | C9 | 90.7° | 65.9° |
| C2 | C1 | C8 | H81 | 26.5° | 54.1° |
| C6 | C1 | C8 | H11 | 115.6° | 120.1° |
| C6 | C1 | C2 | C3 | 61.1° | 60.0° |
| C6 | C1 | C2 | H21 | 173.7° | 180.0° |
| C6 | C1 | C2 | H22 | 64.2° | 60.0° |
| C1 | C6 | C5 | C4 | 60.5° | 60.0° |
| C1 | C6 | C5 | H61 | 125.3° | 120.1° |
| C1 | C6 | C5 | H62 | 125.3° | 120.0° |
| C1 | C6 | C5 | H51 | 64.7° | 60.0° |
| C1 | C6 | C5 | H52 | 174.2° | 179.9° |
| C1 | C6 | H61 | H62 | 118.3° | 120.0° |
| C6 | C1 | C8 | N7 | 17.8° | 66.0° |
| C6 | C1 | C8 | C9 | 143.1° | 54.1° |
| C6 | C1 | C8 | H81 | 99.7° | 174.1° |
| C8 | C1 | C2 | C3 | 168.7° | 179.9° |
| C8 | C1 | C2 | H21 | 43.5° | 60.1° |
| C8 | C1 | C2 | H22 | 66.0° | 60.0° |
| C8 | C1 | C6 | C5 | 170.7° | 179.9° |
| C8 | C1 | C6 | H61 | 64.0° | 59.9° |
| C8 | C1 | C6 | H62 | 45.4° | 60.0° |
| C1 | C8 | N7 | C9 | 124.2° | 120.1° |
| C1 | C8 | N7 | H81 | 118.7° | 119.9° |
| C1 | C8 | N7 | C28 | 172.1° | 85.2° |
| C1 | C8 | N7 | H71 | 62.6° | 28.6° |
| C1 | C8 | C9 | H81 | 118.7° | 120.0° |
| C1 | C8 | C9 | O0 | 94.1° | 85.4° |
| C1 | C8 | C9 | N11 | 77.7° | 94.6° |
| H11 | C1 | C2 | C3 | 55.9° | 60.0° |
| H11 | C1 | C2 | H21 | 69.4° | 60.0° |
| H11 | C1 | C2 | H22 | 178.9° | 180.0° |
| H11 | C1 | C6 | C5 | 58.3° | 60.0° |
| H11 | C1 | C6 | H61 | 176.4° | 180.0° |
| H11 | C1 | C6 | H62 | 67.0° | 60.0° |
| H11 | C1 | C8 | N7 | 97.8° | 54.0° |
| H11 | C1 | C8 | C9 | 27.5° | 174.1° |
| H11 | C1 | C8 | H81 | 144.7° | 65.9° |
| C3 | C2 | H21 | H22 | 118.0° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.1° |
| C2 | C3 | H31 | H32 | 118.1° | 120.0° |
| C2 | C3 | C4 | C5 | 58.1° | 60.0° |
| C2 | C3 | C4 | H41 | 176.7° | 180.0° |
| C2 | C3 | C4 | H42 | 67.2° | 60.0° |
| H21 | C2 | C3 | C4 | 174.8° | 180.0° |
| H21 | C2 | C3 | H31 | 59.9° | 60.0° |
| H21 | C2 | C3 | H32 | 49.6° | 59.9° |
| H22 | C2 | C3 | C4 | 65.4° | 60.0° |
| H22 | C2 | C3 | H31 | 169.4° | NaN° |
| H22 | C2 | C3 | H32 | 59.8° | 60.1° |
| C4 | C3 | H31 | H32 | 118.1° | 119.9° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 119.9° |
| C3 | C4 | H41 | H42 | 118.0° | 119.9° |
| C3 | C4 | C5 | C6 | 59.1° | 59.9° |
| C3 | C4 | C5 | H51 | 66.2° | 60.0° |
| C3 | C4 | C5 | H52 | 175.6° | 180.0° |
| H31 | C3 | C4 | C5 | 67.2° | 60.1° |
| H31 | C3 | C4 | H41 | 58.1° | 60.0° |
| H31 | C3 | C4 | H42 | 167.6° | 180.0° |
| H32 | C3 | C4 | C5 | 176.7° | 180.0° |
| H32 | C3 | C4 | H41 | 51.4° | 59.9° |
| H32 | C3 | C4 | H42 | 58.1° | 60.1° |
| C5 | C4 | H41 | H42 | 118.0° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.1° |
| C4 | C5 | H51 | H52 | 117.5° | 120.1° |
| C4 | C5 | C6 | H61 | 64.8° | 60.1° |
| C4 | C5 | C6 | H62 | 174.2° | 180.0° |
| H41 | C4 | C5 | C6 | 175.7° | 180.0° |
| H41 | C4 | C5 | H51 | 59.1° | 60.0° |
| H41 | C4 | C5 | H52 | 50.4° | 60.0° |
| H42 | C4 | C5 | C6 | 66.2° | 60.0° |
| H42 | C4 | C5 | H51 | 168.6° | 179.9° |
| H42 | C4 | C5 | H52 | 59.1° | 60.1° |
| C6 | C5 | H51 | H52 | 117.5° | 120.0° |
| C5 | C6 | H61 | H62 | 118.4° | 120.0° |
| H51 | C5 | C6 | H61 | 170.0° | 180.0° |
| H51 | C5 | C6 | H62 | 60.5° | 60.0° |
| H52 | C5 | C6 | H61 | 60.5° | 60.0° |
| H52 | C5 | C6 | H62 | 48.9° | 59.9° |
| C8 | N7 | C28 | H71 | 125.3° | 113.8° |
| N7 | C8 | C9 | H81 | 117.3° | 119.9° |
| N7 | C8 | C9 | O0 | 29.8° | 34.6° |
| N7 | C8 | C9 | N11 | 158.3° | 145.4° |
| C8 | N7 | C28 | C29 | 171.1° | 175.0° |
| C8 | N7 | C28 | H281 | 63.7° | 55.0° |
| C8 | N7 | C28 | H282 | 45.8° | 65.0° |
| C28 | N7 | C8 | C9 | 63.7° | 154.7° |
| C28 | N7 | C8 | H81 | 53.4° | 34.7° |
| N7 | C28 | C29 | H281 | 125.3° | 120.0° |
| N7 | C28 | C29 | H282 | 125.3° | 120.0° |
| N7 | C28 | H281 | H282 | 116.7° | 120.0° |
| N7 | C28 | C29 | O30 | 38.4° | 180.0° |
| N7 | C28 | C29 | O31 | 142.2° | 0.0° |
| H71 | N7 | C8 | C9 | 61.6° | 91.5° |
| H71 | N7 | C8 | H81 | 178.6° | 148.5° |
| H71 | N7 | C28 | C29 | 45.8° | 71.2° |
| H71 | N7 | C28 | H281 | 171.0° | 168.7° |
| H71 | N7 | C28 | H282 | 79.5° | 48.8° |
| C8 | C9 | O0 | N11 | 171.4° | 180.0° |
| C8 | C9 | N11 | C12 | 164.8° | 175.7° |
| C8 | C9 | N11 | C27 | 56.8° | 4.4° |
| H81 | C8 | C9 | O0 | 147.1° | 154.6° |
| H81 | C8 | C9 | N11 | 41.0° | 25.4° |
| O0 | C9 | N11 | C12 | 23.5° | 4.3° |
| O0 | C9 | N11 | C27 | 131.5° | 175.6° |
| C9 | N11 | C12 | C27 | 123.6° | 179.9° |
| C9 | N11 | C12 | C13 | 26.0° | 90.4° |
| C9 | N11 | C12 | C26 | 143.9° | 155.3° |
| C9 | N11 | C12 | H121 | 90.3° | 41.0° |
| C9 | N11 | C27 | C26 | 145.7° | 155.3° |
| C9 | N11 | C27 | H271 | 20.5° | 90.4° |
| C9 | N11 | C27 | H272 | 89.0° | 41.0° |
| N11 | C12 | C13 | C26 | 102.2° | 96.6° |
| N11 | C12 | C13 | H121 | 129.0° | 131.7° |
| N11 | C12 | C26 | H121 | 125.9° | 114.4° |
| N11 | C12 | C13 | O14 | 58.1° | 2.1° |
| N11 | C12 | C13 | N15 | 125.3° | 178.0° |
| C12 | N11 | C27 | C26 | 20.1° | 24.7° |
| N11 | C12 | C26 | H261 | 105.8° | 137.9° |
| N11 | C12 | C26 | H262 | 144.7° | 90.7° |
| C12 | N11 | C27 | H271 | 105.2° | 89.7° |
| C12 | N11 | C27 | H272 | 145.3° | 138.9° |
| C27 | N11 | C12 | C13 | 97.6° | 89.7° |
| C27 | N11 | C12 | H121 | 146.1° | 138.9° |
| N11 | C27 | C26 | H271 | 125.3° | 114.3° |
| N11 | C27 | C26 | H272 | 125.3° | 114.3° |
| N11 | C27 | C26 | H261 | 105.5° | 137.9° |
| N11 | C27 | C26 | H262 | 145.0° | 90.8° |
| N11 | C27 | H271 | H272 | 125.5° | 131.8° |
| C13 | C12 | C26 | H121 | 116.3° | 131.3° |
| C12 | C13 | O14 | N15 | 176.5° | 180.0° |
| C12 | C13 | N15 | C16 | 177.9° | 180.0° |
| C12 | C13 | N15 | H151 | 2.1° | 0.1° |
| C13 | C12 | C26 | C27 | 98.3° | 90.7° |
| C13 | C12 | C26 | H261 | 136.4° | 23.6° |
| C13 | C12 | C26 | H262 | 27.0° | 154.9° |
| C26 | C12 | C13 | O14 | 44.1° | 98.7° |
| C26 | C12 | C13 | N15 | 132.5° | 81.3° |
| C12 | C26 | C27 | H261 | 125.3° | 114.3° |
| C12 | C26 | C27 | H262 | 125.2° | 114.4° |
| C12 | C26 | H261 | H262 | 126.9° | 131.7° |
| C12 | C26 | C27 | H271 | 105.5° | 90.7° |
| C12 | C26 | C27 | H272 | 145.0° | 138.0° |
| H121 | C12 | C13 | O14 | 172.9° | 129.7° |
| H121 | C12 | C13 | N15 | 3.7° | 50.3° |
| H121 | C12 | C26 | C27 | 145.4° | 138.0° |
| H121 | C12 | C26 | H261 | 20.1° | 107.7° |
| H121 | C12 | C26 | H262 | 89.3° | 23.7° |
| O14 | C13 | N15 | C16 | 1.4° | 0.0° |
| O14 | C13 | N15 | H151 | 178.6° | 180.0° |
| C13 | N15 | C16 | H151 | 180.0° | 179.9° |
| C13 | N15 | C16 | C17 | 114.1° | 180.0° |
| C13 | N15 | C16 | H161 | 11.2° | 60.0° |
| C13 | N15 | C16 | H162 | 120.6° | 60.0° |
| N15 | C16 | C17 | H161 | 125.3° | 120.0° |
| N15 | C16 | C17 | H162 | 125.3° | 120.0° |
| N15 | C16 | H161 | H162 | 117.6° | 120.0° |
| N15 | C16 | C17 | C18 | 74.6° | 90.0° |
| N15 | C16 | C17 | C22 | 106.6° | 90.0° |
| H151 | N15 | C16 | C17 | 65.9° | 0.1° |
| H151 | N15 | C16 | H161 | 168.8° | 120.1° |
| H151 | N15 | C16 | H162 | 59.4° | 119.9° |
| C17 | C16 | H161 | H162 | 117.6° | 120.0° |
| C16 | C17 | C18 | C22 | 178.8° | 179.9° |
| C16 | C17 | C18 | C19 | 179.8° | 180.0° |
| C16 | C17 | C18 | H181 | 0.2° | 0.0° |
| C16 | C17 | C22 | C21 | 179.4° | 179.7° |
| C16 | C17 | C22 | H221 | 0.6° | 0.1° |
| H161 | C16 | C17 | C18 | 50.6° | 150.0° |
| H161 | C16 | C17 | C22 | 128.2° | 30.0° |
| H162 | C16 | C17 | C18 | 160.1° | 30.0° |
| H162 | C16 | C17 | C22 | 18.7° | 150.0° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.1° |
| C17 | C18 | C19 | H191 | 179.6° | 180.0° |
| C18 | C17 | C22 | C21 | 0.7° | 0.3° |
| C18 | C17 | C22 | H221 | 179.4° | 180.0° |
| C22 | C17 | C18 | C19 | 1.0° | 0.1° |
| C22 | C17 | C18 | H181 | 179.0° | 180.0° |
| C17 | C22 | C21 | C20 | 0.3° | 0.6° |
| C17 | C22 | C21 | H221 | 180.0° | 179.6° |
| C17 | C22 | C21 | H211 | 179.7° | 180.0° |
| C18 | C19 | C20 | H191 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.6° | 0.4° |
| C18 | C19 | C20 | C23 | 179.8° | 180.0° |
| H181 | C18 | C19 | C20 | 179.6° | 179.9° |
| H181 | C18 | C19 | H191 | 0.4° | 0.1° |
| C19 | C20 | C21 | C23 | 179.6° | 179.7° |
| C19 | C20 | C21 | C22 | 0.9° | 0.6° |
| C19 | C20 | C21 | H211 | 179.1° | 180.0° |
| C19 | C20 | C23 | N24 | 29.7° | 0.1° |
| C19 | C20 | C23 | N25 | 150.8° | 180.0° |
| H191 | C19 | C20 | C21 | 179.4° | 179.8° |
| H191 | C19 | C20 | C23 | 0.2° | 0.1° |
| C20 | C21 | C22 | H211 | 180.0° | 179.4° |
| C20 | C21 | C22 | H221 | 179.7° | 179.8° |
| C21 | C20 | C23 | N24 | 149.9° | 179.7° |
| C21 | C20 | C23 | N25 | 29.6° | 0.3° |
| C23 | C20 | C21 | C22 | 179.5° | 179.7° |
| C23 | C20 | C21 | H211 | 0.5° | 0.3° |
| C20 | C23 | N24 | N25 | 179.5° | 180.0° |
| C20 | C23 | N24 | H241 | 98.2° | 0.0° |
| C20 | C23 | N25 | H251 | 54.7° | 180.0° |
| C20 | C23 | N25 | H252 | 180.0° | 0.2° |
| H211 | C21 | C22 | H221 | 0.3° | 0.3° |
| N24 | C23 | N25 | H251 | 124.7° | 0.0° |
| N24 | C23 | N25 | H252 | 0.5° | 179.7° |
| N25 | C23 | N24 | H241 | 81.3° | 180.0° |
| C23 | N25 | H251 | H252 | 131.3° | 179.8° |
| C27 | C26 | H261 | H262 | 126.9° | 131.7° |
| C26 | C27 | H271 | H272 | 125.4° | 131.7° |
| H261 | C26 | C27 | H271 | 129.2° | 23.6° |
| H261 | C26 | C27 | H272 | 19.8° | 107.7° |
| H262 | C26 | C27 | H271 | 19.7° | 154.9° |
| H262 | C26 | C27 | H272 | 89.7° | 23.6° |
| C29 | C28 | H281 | H282 | 116.6° | 120.0° |
| C28 | C29 | O30 | O31 | 179.4° | 179.9° |
| C28 | C29 | O30 | H301 | 180.0° | 180.0° |
| H281 | C28 | C29 | O30 | 86.9° | 60.0° |
| H281 | C28 | C29 | O31 | 92.5° | 119.9° |
| H282 | C28 | C29 | O30 | 163.6° | 60.0° |
| H282 | C28 | C29 | O31 | 17.0° | 120.1° |
| O31 | C29 | O30 | H301 | 0.6° | 0.0° |
